| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:33:02 UTC |
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| Update Date | 2016-11-09 01:13:41 UTC |
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| Accession Number | CHEM007931 |
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| Identification |
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| Common Name | Benzo (b) perylene |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - HPV EPA Chemicals
- My Exposome Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C24H14 |
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| Average Molecular Mass | 302.376 g/mol |
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| Monoisotopic Mass | 302.110 g/mol |
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| CAS Registry Number | 197-70-6 |
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| IUPAC Name | hexacyclo[11.9.1.1¹⁴,¹⁸.0³,⁸.0⁹,²³.0²²,²⁴]tetracosa-1,3,5,7,9(23),10,12,14,16,18(24),19,21-dodecaene |
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| Traditional Name | hexacyclo[11.9.1.1¹⁴,¹⁸.0³,⁸.0⁹,²³.0²²,²⁴]tetracosa-1,3,5,7,9(23),10,12,14,16,18(24),19,21-dodecaene |
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| SMILES | C1=CC=C2C(=C1)C=C1C3=CC=CC4=C3C(=CC=C4)C3=CC=CC2=C13 |
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| InChI Identifier | InChI=1S/C24H14/c1-2-9-17-16(6-1)14-22-21-11-4-8-15-7-3-10-19(23(15)21)20-13-5-12-18(17)24(20)22/h1-14H |
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| InChI Key | UXDAAYMFPFYGMU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as naphthacenes. Naphthacenes are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Naphthacenes |
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| Sub Class | Not Available |
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| Direct Parent | Naphthacenes |
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| Alternative Parents | |
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| Substituents | - Tetracene
- Phenanthrene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0009000000-a0aadb7813a5f39ca972 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0009000000-220c2028bad111efe7bf | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-0039000000-1fb90bb8349f70f13822 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-e12d0955684fc8ca7756 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-e12d0955684fc8ca7756 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0019000000-16d49c856367bf02d853 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 67455 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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